2p1n

Overview
The structure includes the herbicide 2,4-dichlorophenoxyacetic acid (2,4-D). 2,4-D is one of the compounds used in Agent Orange, a defoliant used in the Vietnam War. It is a mimic of the phytohormone auxin, and binds in the active site of TIR1 ubiquitin ligase in a similar manner.  Click on this link to see a close-up view of the active site. 2,4-D, shown here with green carbon atoms, is recognized by ARG403 (shown in blue) which forms hydrogen bonds with the acidic group. The aromatic portion of 2,4-D is recognized by a pocket composed of hydrophobic amino acids, shown in white here. 2,4-D, like auxin, promotes the association of TIR1 ubiquitin ligase with its protein substrates by acting as "molecular glue" between the molecules. This structure includes a short peptide from one of the protein substrates, shown here in pink in a backbone representation or all atoms.

To see the auxin bound in the active site, look at entry 2p1q.

About this Structure
2P1N is a Protein complex structure of sequences from Arabidopsis thaliana. Full crystallographic information is available from OCA.

Reference
Mechanism of auxin perception by the TIR1 ubiquitin ligase., Tan X, Calderon-Villalobos LI, Sharon M, Zheng C, Robinson CV, Estelle M, Zheng N, Nature. 2007 Apr 5;446(7136):640-5. PMID:17410169

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